Geometry & MOs

Info

ID:	256168
PubChem CID:	103137515
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	341.05276
ΔH_f, kcal/mol:	-151.32
Dipole, Da:	2.34
IP(EA), eV:	-9.1(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[(3-bromophenyl)methyl]-8-N-methylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCC(C2)C(=O)OC

DOS

IR

Vibrations